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Tag Smiles Reactions
PTDBPRD00011 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00014 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O 1
PTDBPRD00016 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00019 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H]2CCCN2C1=O 1
PTDBPRD00021 CC(C)=CC[C@@]12C[C@H]3C(=O)N4CCC[C@@H]4C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00024 CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@@H]2CCCN2C1=O 1
PTDBPRD00026 CC(C)=CC[C@]12C[C@@H]3C(=O)N4CCC[C@H]4C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00029 CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H]2CCCN2C1=O 1
PTDBPRD00031 CC(C)=CC[C@]12C[C@@H]3C(=O)N4CCC[C@@H]4C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00034 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O 1
PTDBPRD00036 CC(C)=CC[C@@]12C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00038 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](C)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00041 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](C)NC1=O 1
PTDBPRD00043 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@H](C)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00046 CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@@H](C)NC1=O 1
PTDBPRD00048 CC(C)=CC[C@]12C[C@@H]3C(=O)N[C@H](C)C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00051 CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H](C)NC1=O 1
PTDBPRD00053 CC(C)=CC[C@]12C[C@@H]3C(=O)N[C@@H](C)C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00056 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC1=O 1
PTDBPRD00058 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00063 CC(C)=CC[C@@]12C[C@H]3C(=O)NCC(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00071 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00076 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00084 COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 1
PTDBPRD00087 COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C 1
PTDBPRD00090 COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C 1
PTDBPRD00093 CC(C)=CCOc1c(C)cc2oc3cccc(O)c3c(=O)c2c1CO 1
PTDBPRD00099 CC(C)=CCOc1c(C)cc2oc3cccc(O)c3c(=O)c2c1C 1
PTDBPRD00102 CC(C)=CCOc1c(C)c(C)c2oc3cccc(O)c3c(=O)c2c1C 1
PTDBPRD00114 CC(C)=CCc1ccc(O)cc1C[C@H](N)C(=O)O 1
PTDBPRD00115 CC(C)=CCc1ccc(C[C@H](N)C(=O)O)cc1O 1
PTDBPRD00122 CC(C)=CCn1cc(C[C@H](N)C(=O)O)c2c(C)cccc21 1
PTDBPRD00125 COc1c(CC=C(C)C)ccc2[nH]cc(C[C@H](N)C(=O)O)c12 1
PTDBPRD00128 CC(C)=CCc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1N 1
PTDBPRD00129 CC(C)=CCc1ccc(N)c2c(C[C@H](N)C(=O)O)c[nH]c12 1
PTDBPRD00132 C=CC(C)(C)[C@@]12C[C@@H](C(=O)O)N[C@@H]1Nc1cccc(C)c12 1
PTDBPRD00133 C=CC(C)(C)[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1cccc(C)c12 1
PTDBPRD00134 CC(C)=CC[C@@]12C[C@@H](C(=O)O)N[C@@H]1Nc1cccc(C)c12 1
PTDBPRD00135 CC(C)=CC[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1cccc(C)c12 1
PTDBPRD00138 CC(=O)/C(=C/c1c[nH]c2ccccc12)CC=C(C)C 1
PTDBPRD00141 CC(C)=CCc1cccc2c(C[C@H](N)C(=O)NCC(=O)O)c[nH]c12 1
PTDBPRD00146 COC1=C(c2c[nH]c3ccccc23)C(=O)C(OC)=C(c2c(CC=C(C)C)[nH]c3ccccc23)C1=O 1
PTDBPRD00147 C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3c[nH]c4ccccc34)=C(OC)C2=O)c2ccccc21 1
PTDBPRD00150 C=CC(C)(C)n1cc(-c2c(OC)c(=C)c(-c3c(CC=C(C)C)[nH]c4ccccc34)c(OC)c2=C)c2ccccc21 1
PTDBPRD00294 CC(C)=CCC1=C(O)C(=O)c2cc(O)cc(O)c2C1=O 1
PTDBPRD00295 C=CC(C)(C)C1=C(O)C(=O)c2cc(O)cc(O)c2C1=O 1
PTDBPRD00296 CC(C)=CCc1ccc2[nH]cc(C[C@H](O)C(=O)O)c2c1 1
PTDBPRD00299 CC(C)=CCc1ccc2[nH]cc(CCC(=O)O)c2c1 1
PTDBPRD00302 CC(C)=CCc1ccc2[nH]cc(/C=C/C(=O)O)c2c1 1
PTDBPRD00305 CC(C)=CCc1ccc2c(c1)c(C[C@@H](N)C(=O)O)cn2C 1
PTDBPRD00308 CC(C)=CCc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1C 1
PTDBPRD00309 CC(C)=CCc1cc2c(C[C@@H](N)C(=O)O)c[nH]c2cc1C 1
PTDBPRD00312 CC(C)=CCc1cc2c(C[C@@H](N)C(=O)O)c[nH]c2cc1F 1
PTDBPRD00315 CC(C)=CCc1cc(C)c2[nH]cc(C[C@@H](N)C(=O)O)c2c1 1
PTDBPRD00316 CN[C@@H](Cc1c[nH]c2ccc(CC=C(C)C)cc12)C(=O)O 1
PTDBPRD00319 CC(=O)N[C@@H](Cc1c[nH]c2ccc(CC=C(C)C)cc12)C(=O)O 1
PTDBPRD00320 CC(C)=CCc1ccc2[nH]cc(C[C@H](N)CC(=O)O)c2c1 1
PTDBPRD00341 CC(C)=CCOc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1 1
PTDBPRD00342 CC(C)=CCOc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 1
PTDBPRD00345 CC(C)=CCC/C(C)=C\COc1cc(O)c2c(=O)c3c(O)cc(O)cc3oc2c1 1
PTDBPRD00347 CC(C)=CCC/C(C)=C/CC/C(C)=C\COc1cc(O)c2c(=O)c3c(O)cc(O)cc3oc2c1 1
PTDBPRD00349 CC(C)=CCC/C(C)=C\COc1cc2c(=O)c3c(O)cccc3oc2cc1C 1
PTDBPRD00350 CC(C)=CCC/C(C)=C/CC/C(C)=C\COc1cc2c(=O)c3c(O)cccc3oc2cc1C 1
PTDBPRD00353 CC(C)=CCOc1cc(O)c2c(=O)c3ccc(O)cc3oc2c1 1
PTDBPRD00354 CC(C)=CCOc1ccc2c(=O)c3c(O)cc(O)cc3oc2c1 1
PTDBPRD00355 CC(C)=CCC/C(C)=C/COc1cc(O)c2c(=O)c3ccc(O)cc3oc2c1 1
PTDBPRD00356 CC(C)=CCC/C(C)=C/COc1ccc2c(=O)c3c(O)cc(O)cc3oc2c1 1
PTDBPRD00357 CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc(O)c2c(=O)c3ccc(O)cc3oc2c1 1
PTDBPRD00358 CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1ccc2c(=O)c3c(O)cc(O)cc3oc2c1 1
PTDBPRD00362 CC(C)=CCc1ccc2[nH]c3c4[nH]c5ccc(CC=C(C)C)cc5c4c4c(c3c2c1)CNC4=O 1
PTDBPRD00363 CC(C)=CCc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)NC4 1
PTDBPRD00387 C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](OC(C)=O)[C@@H](C)CN1C 1
PTDBPRD00390 C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](OC(C)=O)[C@H](C)CN1C 1
PTDBPRD00391 C=CC(C)(C)[C@@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00394 C=CC(C)(C)[C@@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00395 C=CC(C)(C)[C@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00398 CC(C)=CCc1cccc2c1Nc1c(cccc1C(=O)O)N2 1
PTDBPRD00401 CC(C)=CCc1c(O)ccc2c(O)cccc12 1
PTDBPRD00414 C=CC(C)(C)n1cc(C[C@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)c2ccccc21 1
PTDBPRD00417 C=CC(C)(C)n1cc(CC(=O)O)c2ccccc21 1
PTDBPRD00420 CC(C)=CCn1cc(C[C@@H](N)CC(=O)O)c2ccccc21 1
PTDBPRD00421 C=CC(C)(C)n1cc(CCN)c2ccccc21 1
PTDBPRD00425 C=CC(C)(C)n1cc(C[C@@](C)(N)C(=O)O)c2ccccc21 1
PTDBPRD00426 C=CC(C)(C)n1cc(C[C@](C)(N)C(=O)O)c2ccccc21 1
PTDBPRD00427 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2cc(C)ccc21 1
PTDBPRD00428 C=CC(C)(C)n1cc(C[C@@H](N)C(=O)O)c2cc(C)ccc21 1
PTDBPRD00431 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2cc(O)ccc21 1
PTDBPRD00434 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2cc(Br)ccc21 1
PTDBPRD00437 C=CC(C)(C)n1cc(C[C@@H](N)C(=O)O)c2cc(Br)ccc21 1
PTDBPRD00440 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2cc(F)ccc21 1
PTDBPRD00443 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2ccc(F)cc21 1
PTDBPRD00444 C=CC(C)(C)n1cc(C[C@@H](N)C(=O)O)c2ccc(F)cc21 1
PTDBPRD00447 CC(C)=CCc1ccc2ccc(C)cc2c1O 1
PTDBPRD00450 COc1cccc2ccc(O)c(CC=C(C)C)c12 1
PTDBPRD00453 CCOc1cccc2ccc(O)c(CC=C(C)C)c12 1
PTDBPRD00487 CC(=O)N[C@H](Cc1c[nH]c2cccc(CC=C(C)C)c12)C(=O)O 1
PTDBPRD00490 CC(C)=CCc1cccc2[nH]cc(C[C@@H](N)C(=O)NO)c12 1
PTDBPRD00493 CC(C)=CCc1cccc2[nH]cc(CC(=O)C(=O)O)c12 1
PTDBPRD00494 CC(C)=CCc1cccc2c(CCC(=O)O)c[nH]c12 1
PTDBPRD00495 CC(C)=CCc1cccc2c(CC(=O)O)c[nH]c12 1